(2-fluorophenyl) 2-hydroxy-2-methylpropanoate

C10H11FO3 — CID 117051075

IUPAC(2-fluorophenyl) 2-hydroxy-2-methylpropanoate
SMILESCC(C)(O)C(=O)Oc1ccccc1F
InChIInChI=1S/C10H11FO3/c1-10(2,13)9(12)14-8-6-4-3-5-7(8)11/h3-6,13H,1-2H3
InChIKeyJGLWPZBFVFKBIY-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.50
Rot. Bonds2

About (2-fluorophenyl) 2-hydroxy-2-methylpropanoate

(2-fluorophenyl) 2-hydroxy-2-methylpropanoate (PubChem CID 117051075) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is (2-fluorophenyl) 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-hydroxy-2-methylpropanoate
PubChem CID117051075
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name(2-fluorophenyl) 2-hydroxy-2-methylpropanoate
SMILESCC(C)(O)C(=O)Oc1ccccc1F
InChIInChI=1S/C10H11FO3/c1-10(2,13)9(12)14-8-6-4-3-5-7(8)11/h3-6,13H,1-2H3
InChIKeyJGLWPZBFVFKBIY-UHFFFAOYSA-N
XLogP1.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-cyano-3-fluorophenyl) 2-hydroxy-2-methylpropanoate
CID 117096379
(2-fluorophenyl) 2-amino-2-phenylpropanoate
CID 174648990
(2-fluorophenyl) 2-oxopropanoate
CID 54044054
acetyl acetate;(2-fluorophenyl) acetate
CID 158232558
(2-fluorophenyl) 2-methoxybenzoate
CID 91714946
1-O-(2-fluorophenyl) 3-O-propyl 2,2-diethylpropanedioate
CID 91708713
[2-(2-bromo-2-methylpropanoyl)oxyphenyl] 2-bromo-2-methylpropanoate
CID 101006572
(2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate
CID 91452013
bis(2-fluorophenyl) hexanedioate
CID 91704928
(2-fluorophenyl) N-ethylcarbamate
CID 127543525
(2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
CID 175350833
1-O-(2-fluorophenyl) 3-O-octadecyl 2,2-diethylpropanedioate
CID 91705924

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-hydroxy-2-methylpropanoate?
The IUPAC name of (2-fluorophenyl) 2-hydroxy-2-methylpropanoate (CID 117051075) is (2-fluorophenyl) 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for (2-fluorophenyl) 2-hydroxy-2-methylpropanoate?
The canonical SMILES for (2-fluorophenyl) 2-hydroxy-2-methylpropanoate is CC(C)(O)C(=O)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 2-hydroxy-2-methylpropanoate?
The InChIKey is JGLWPZBFVFKBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-10(2,13)9(12)14-8-6-4-3-5-7(8)11/h3-6,13H,1-2H3.
What are the key properties of (2-fluorophenyl) 2-hydroxy-2-methylpropanoate?
(2-fluorophenyl) 2-hydroxy-2-methylpropanoate has a molecular weight of 198.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 117051075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).